1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C19H22N4O — CID 4065564

IUPAC1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)N1CCc2ccccc21
InChIInChI=1S/C19H22N4O/c24-19(23-10-8-16-5-1-2-6-17(16)23)15-21-11-13-22(14-12-21)18-7-3-4-9-20-18/h1-7,9H,8,10-15H2
InChIKeyZBDXYRWBCUSEOU-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.79
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 4065564) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID4065564
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)N1CCc2ccccc21
InChIInChI=1S/C19H22N4O/c24-19(23-10-8-16-5-1-2-6-17(16)23)15-21-11-13-22(14-12-21)18-7-3-4-9-20-18/h1-7,9H,8,10-15H2
InChIKeyZBDXYRWBCUSEOU-UHFFFAOYSA-N
XLogP1.79
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 4065564) is 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ccccn2)CC1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is ZBDXYRWBCUSEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(23-10-8-16-5-1-2-6-17(16)23)15-21-11-13-22(14-12-21)18-7-3-4-9-20-18/h1-7,9H,8,10-15H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 322.41 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 4065564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).